BDBM50337665 1-benzyl-3-cyclopropyl-1-(3-(phenylethynyl)benzyl)urea::CHEMBL1683223

SMILES: O=C(NC1CC1)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1

InChI Key: InChIKey=QIHZTHLVWPKOIX-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50337665   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50337665 (1-benzyl-3-cyclopropyl-1-(3-(phenylethynyl)benzyl)...) Show SMILES O=C(NC1CC1)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C26H24N2O/c29-26(27-25-16-17-25)28(19-23-10-5-2-6-11-23)20-24-13-7-12-22(18-24)15-14-21-8-3-1-4-9-21/h1-13,18,25H,16-17,19-20H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1				Bioorg Med Chem Lett 21: 1488-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.006 BindingDB Entry DOI: 10.7270/Q2XS5VNP
					More data for this Ligand-Target Pair
Prostaglandin E synthase (Homo sapiens (Human))	BDBM50337665 (1-benzyl-3-cyclopropyl-1-(3-(phenylethynyl)benzyl)...) Show SMILES O=C(NC1CC1)N(Cc1ccccc1)Cc1cccc(c1)C#Cc1ccccc1 Show InChI InChI=1S/C26H24N2O/c29-26(27-25-16-17-25)28(19-23-10-5-2-6-11-23)20-24-13-7-12-22(18-24)15-14-21-8-3-1-4-9-21/h1-13,18,25H,16-17,19-20H2,(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Frosst Center for Therapeutic Research Curated by ChEMBL					Assay Description Inhibition of mPGES1 in IL-1beta treated human A549 cell microsome assessed as inhibition of PGE2 production after 1 min in presence of 50% FBS				Bioorg Med Chem Lett 21: 1488-92 (2011) Article DOI: 10.1016/j.bmcl.2011.01.006 BindingDB Entry DOI: 10.7270/Q2XS5VNP
					More data for this Ligand-Target Pair